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96314-88-4 | Oxazolo[4,5-c]quinoline, 7,9-dimethyl-2-(2-propenylthio)-
CAS No: 96314-88-4 Catalog No: AG006RZG MDL No:
Product Description
Catalog Number:
AG006RZG
Chemical Name:
Oxazolo[4,5-c]quinoline, 7,9-dimethyl-2-(2-propenylthio)-
CAS Number:
96314-88-4
Molecular Formula:
C15H14N2OS
Molecular Weight:
270.3495
IUPAC Name:
7,9-dimethyl-2-prop-2-enylsulfanyl-[1,3]oxazolo[4,5-c]quinoline
InChI:
InChI=1S/C15H14N2OS/c1-4-5-19-15-17-12-8-16-11-7-9(2)6-10(3)13(11)14(12)18-15/h4,6-8H,1,5H2,2-3H3
InChI Key:
YBFYWQKSKYFXLU-UHFFFAOYSA-N
SMILES:
C=CCSc1nc2c(o1)c1c(C)cc(cc1nc2)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.083g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.35g/mol
Monoisotopic Mass:
270.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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